(6E,10E,12E)-6-diazonio-1-ethoxy-9-oxidanyl-1-oxidanylidene-octadeca-6,10,12-trien-7-olate

Systemtic Name: (6E,10E,12E)-6-diazonio-1-ethoxy-9-oxidanyl-1-oxidanylidene-octadeca-6,10,12-trien-7-olate Openeye Name: (6E,10E,12E)-6-diazonio-1-ethoxy-9-hydroxy-1-oxo-octadeca-6,10,12-trien-7-olate CAS Name: (6E,10E,12E)-6-diazonio-1-ethoxy-9-hydroxy-1-oxo-7-octadeca-6,10,12-trienolate IUPAC Name: (6E,10E,12E)-6-diazonio-1-ethoxy-9-hydroxy-1-oxooctadeca-6,10,12-trien-7-olate Traditional Name: (6E,10E,12E)-6-diazonio-1-ethoxy-9-hydroxy-1-keto-octadeca-6,10,12-trien-7-olate Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=CC(CC(=C(CCCCC(=O)OCC)[N+]#N)[O-])O

Isomeric SMILES

CCCCC/C=C/C=C/C(C/C(=C(/CCCCC(=O)OCC)\[N+]#N)/[O-])O

InChI

InChI=1S/C20H32N2O4/c1-3-5-6-7-8-9-10-13-17(23)16-19(24)18(22-21)14-11-12-15-20(25)26-4-2/h8-10,13,17,23H,3-7,11-12,14-16H2,1-2H3/b9-8+,13-10+,19-18+